Compound Identification
SMILES
C[C@@H]1CC[C@H]2C(C)(C)C[C@]3(C)CC[C@@H](OS(C)(=O)=O)C123
InChIKey
InChIKey=YWBZCFDJDWTZNV-ITLHPOFBSA-N
Formula
C16H28O3S
Mass
300.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
-
Level 5
Triquinane sesquiterpenoids
- Level 6 Angular triquinanes
-
Level 5
Triquinane sesquiterpenoids
-
Subclass
Sesquiterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Triquinane sesquiterpenoids
Direct Parent
Angular triquinanes
Alternative Parents
Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Angular triquinane sesquiterpenoid - Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular triquinanes. These are triquinane with a structure based on a [6.3.0.0^1,5] undecane carbon skeleton.
External Descriptors
Not available